MELISA: Molecular Engineering of Contact Interfaces for Long-Term Stable Perovskite Photovoltaics

永磁太阳能电池（PSCs）作为下一代光伏（PV）技术已经出现，其提供高性能和低预计制造成本。然而，目前的钙钛矿/电荷传输层（CTL）接触缺乏所需的长期结构和性能稳定性，这阻碍了钙钛矿基PV的市场进入。钙钛矿/接触界面的不稳定性是一个多方面的挑战，需要对界面缺陷、电荷转移、化学稳定性和分层问题进行整体解决。为了克服这一挑战，必须设计新型的电荷选择性分子，使其能够同时钝化钙钛矿/接触界面缺陷，促进电荷传输，形成稳定的阻挡层，并保持接触叠层的完整性。因此，本研究的目的是合成一类新的电荷选择性分子，并利用它们来设计高度稳定的钙钛矿/CTL接触，从而能够制造高效率和长期稳定的PSC。与现有的CTL不同，新开发的电荷选择性分子将是钙钛矿特异性的，并结合功能性连接单元，旨在同时解决所有钙钛矿/接触界面问题。与现有的文献研究不同，本项目将遵循国际有机光伏稳定性峰会的一整套协议，而不是一个特定的协议，以揭示钙钛矿/接触界面的“真正”可靠性。该项目的整体方法，加上广泛的表征，将产生新的知识来解决PSC的长期稳定性问题，从而使这项有前途的技术商业化。总的来说，将开发的先进设备概念可以为2030年以后的下一代光伏技术铺平道路。

Perovskite solar cells (PSCs) have emerged as the next-generation photovoltaic (PV) technology that offers high performance and lowprojected manufacturing costs. However, the current perovskite/charge-transport-layer (CTL) contacts lack the required long-termstructural and performance stability, which hinders the market entry of perovskite-based PVs. The instability of perovskite/contactinterfaces is a multifaceted challenge that requires a holistic solution to the interfacial defect, charge transfer, chemical stability, anddelamination problems. To overcome this challenge, it is imperative to design novel charge-selective molecules that cansimultaneously passivate perovskite/contact interface defects, facilitate charge transport, form a stable barrier layer, and preserve theintegrity of the contact stack. Therefore, this proposal aims to synthesize a new class of charge-selective molecules and use them todesign highly stable perovskite/CTL contacts that will enable the fabrication of high-efficiency and long-term stable PSCs. Unlikeexisting CTLs, the newly developed charge-selective molecules will be perovskite-specific and incorporate functional linker units,targeting to address all perovskite/contact interface problems simultaneously. Different from the existing literature studies, thisproject will follow not a specific but a complete set of the International Summit on Organic Photovoltaic Stability protocols to revealthe 'true' reliability of perovskite/contact interfaces. The holistic approach of this project, coupled with extensive characterizations,will generate new knowledge to address the long-lasting stability issue of PSCs, thereby enabling the commercialization of thispromising technology. Overall, the advanced device concepts that will be developed could pave the way to the next generation of PVtechnologies beyond 2030.